LKMUHOZQCOCZFO-UHFFFAOYSA-N

Name: LKMUHOZQCOCZFO-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₃ClF₃N₅O — CID 122510920

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CC(F)F)cn12

InChIInChI=1S/C19H13ClF3N5O/c20-12-5-10(1-3-13(12)21)17-18(27(9-26-17)8-15(22)23)11-2-4-16-25-6-14(19(24)29)28(16)7-11/h1-7,9,15H,8H2,(H2,24,29)

InChIKeyLKMUHOZQCOCZFO-UHFFFAOYSA-N

MW419.79 g/mol

LogP4.02

Rot. Bonds5

About LKMUHOZQCOCZFO-UHFFFAOYSA-N

LKMUHOZQCOCZFO-UHFFFAOYSA-N (PubChem CID 122510920) has the molecular formula C₁₉H₁₃ClF₃N₅O and a molecular weight of 419.79 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name	LKMUHOZQCOCZFO-UHFFFAOYSA-N
PubChem CID	122510920
Molecular Formula	C₁₉H₁₃ClF₃N₅O
Molecular Weight	419.79 g/mol
Exact Mass	419.08
IUPAC Name	6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILES	NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CC(F)F)cn12
InChI	InChI=1S/C19H13ClF3N5O/c20-12-5-10(1-3-13(12)21)17-18(27(9-26-17)8-15(22)23)11-2-4-16-25-6-14(19(24)29)28(16)7-11/h1-7,9,15H,8H2,(H2,24,29)
InChIKey	LKMUHOZQCOCZFO-UHFFFAOYSA-N
XLogP	4.02
TPSA	78.21 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.79
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of LKMUHOZQCOCZFO-UHFFFAOYSA-N?

The IUPAC name of LKMUHOZQCOCZFO-UHFFFAOYSA-N (CID 122510920) is 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for LKMUHOZQCOCZFO-UHFFFAOYSA-N?

The canonical SMILES for LKMUHOZQCOCZFO-UHFFFAOYSA-N is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CC(F)F)cn12.

What is the InChIKey of LKMUHOZQCOCZFO-UHFFFAOYSA-N?

The InChIKey is LKMUHOZQCOCZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O/c20-12-5-10(1-3-13(12)21)17-18(27(9-26-17)8-15(22)23)11-2-4-16-25-6-14(19(24)29)28(16)7-11/h1-7,9,15H,8H2,(H2,24,29).

What are the key properties of LKMUHOZQCOCZFO-UHFFFAOYSA-N?

LKMUHOZQCOCZFO-UHFFFAOYSA-N has a molecular weight of 419.79 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for LKMUHOZQCOCZFO-UHFFFAOYSA-N is sourced from PubChem (CID 122510920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 122510920 — identifiers, structure, computed properties (public domain)

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